3-methyl-1-(4-phenoxy-3-phenylmethoxyphenyl)-1,3,5-triazinane-2,4-dione

C23H21N3O4 — CID 175517725

IUPAC3-methyl-1-(4-phenoxy-3-phenylmethoxyphenyl)-1,3,5-triazinane-2,4-dione
SMILESCN1C(=O)NCN(c2ccc(Oc3ccccc3)c(OCc3ccccc3)c2)C1=O
InChIInChI=1S/C23H21N3O4/c1-25-22(27)24-16-26(23(25)28)18-12-13-20(30-19-10-6-3-7-11-19)21(14-18)29-15-17-8-4-2-5-9-17/h2-14H,15-16H2,1H3,(H,24,27)
InChIKeyMIHCJJFITAHVKU-UHFFFAOYSA-N
MW403.44 g/mol
LogP4.60
Rot. Bonds6

About 3-methyl-1-(4-phenoxy-3-phenylmethoxyphenyl)-1,3,5-triazinane-2,4-dione

3-methyl-1-(4-phenoxy-3-phenylmethoxyphenyl)-1,3,5-triazinane-2,4-dione (PubChem CID 175517725) has the molecular formula C23H21N3O4 and a molecular weight of 403.44 g/mol. Its IUPAC name is 3-methyl-1-(4-phenoxy-3-phenylmethoxyphenyl)-1,3,5-triazinane-2,4-dione.

Molecular Properties

Compound Name3-methyl-1-(4-phenoxy-3-phenylmethoxyphenyl)-1,3,5-triazinane-2,4-dione
PubChem CID175517725
Molecular FormulaC23H21N3O4
Molecular Weight403.44 g/mol
Exact Mass403.15
IUPAC Name3-methyl-1-(4-phenoxy-3-phenylmethoxyphenyl)-1,3,5-triazinane-2,4-dione
SMILESCN1C(=O)NCN(c2ccc(Oc3ccccc3)c(OCc3ccccc3)c2)C1=O
InChIInChI=1S/C23H21N3O4/c1-25-22(27)24-16-26(23(25)28)18-12-13-20(30-19-10-6-3-7-11-19)21(14-18)29-15-17-8-4-2-5-9-17/h2-14H,15-16H2,1H3,(H,24,27)
InChIKeyMIHCJJFITAHVKU-UHFFFAOYSA-N
XLogP4.60
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxy-3-phenylmethoxyphenyl)-4-methyl-1,3-diazinan-2-one
CID 155170009
1-(3-methyl-4-phenylmethoxyphenyl)-1,3-diazinan-2-one
CID 68524434
4-nitro-1-phenoxy-2-phenylmethoxybenzene
CID 139434061
1-(3-methoxy-4-phenylmethoxyphenyl)piperidin-2-one
CID 86198598
1-methyl-4-(2-phenylmethoxyphenoxy)benzene
CID 12993342
3-bromo-1,6-dimethyl-4-phenylmethoxypyridin-2-one
CID 169449042
4-benzyl-1-(3-methyl-4-phenylmethoxyphenyl)piperazine-2,6-dione
CID 54410983
(5S)-3-methyl-5-(6-phenylmethoxy-3H-inden-1-yl)-1,3-diazinane-2,4-dione
CID 155619112
ethane;3-(3-fluoro-4-phenylmethoxyphenyl)-1,3-oxazolidin-2-one;methanol
CID 142959688
4-[4-(4-methoxy-3-phenylmethoxyphenyl)-2-oxopyrrolidin-1-yl]pyridine-2-carboxylic acid
CID 90976243
1-benzyl-4-[3-fluoro-4-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxyphenyl]piperazine-2,5-dione
CID 58751816
2,3,6,7,10,11-hexakis(phenylmethoxy)triphenylene
CID 11040205

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(4-phenoxy-3-phenylmethoxyphenyl)-1,3,5-triazinane-2,4-dione?
The IUPAC name of 3-methyl-1-(4-phenoxy-3-phenylmethoxyphenyl)-1,3,5-triazinane-2,4-dione (CID 175517725) is 3-methyl-1-(4-phenoxy-3-phenylmethoxyphenyl)-1,3,5-triazinane-2,4-dione.
What is the SMILES notation for 3-methyl-1-(4-phenoxy-3-phenylmethoxyphenyl)-1,3,5-triazinane-2,4-dione?
The canonical SMILES for 3-methyl-1-(4-phenoxy-3-phenylmethoxyphenyl)-1,3,5-triazinane-2,4-dione is CN1C(=O)NCN(c2ccc(Oc3ccccc3)c(OCc3ccccc3)c2)C1=O.
What is the InChIKey of 3-methyl-1-(4-phenoxy-3-phenylmethoxyphenyl)-1,3,5-triazinane-2,4-dione?
The InChIKey is MIHCJJFITAHVKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O4/c1-25-22(27)24-16-26(23(25)28)18-12-13-20(30-19-10-6-3-7-11-19)21(14-18)29-15-17-8-4-2-5-9-17/h2-14H,15-16H2,1H3,(H,24,27).
What are the key properties of 3-methyl-1-(4-phenoxy-3-phenylmethoxyphenyl)-1,3,5-triazinane-2,4-dione?
3-methyl-1-(4-phenoxy-3-phenylmethoxyphenyl)-1,3,5-triazinane-2,4-dione has a molecular weight of 403.44 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(4-phenoxy-3-phenylmethoxyphenyl)-1,3,5-triazinane-2,4-dione is sourced from PubChem (CID 175517725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).